[2-(3,5-dimethylpyrazol-1-yl)phenyl]dimethylamine | 832723-60-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [2-(3,5-dimethylpyrazol-1-yl)phenyl]dimethylamine
• 英文别名: [2-(3,5-dimethylpyrazole-1-yl)phenyl]dimethylamine；Benzenamine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N,N-dimethyl-；2-(3,5-dimethylpyrazol-1-yl)-N,N-dimethylaniline
• CAS: 832723-60-1
• 化学式: C₁₃H₁₇N₃
• 分子量: 215.298
• InChiKey: JVUIIQFDOLNHDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  21.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  sodium tetrachloropalladate(II) 、 [2-(3,5-dimethylpyrazol-1-yl)phenyl]dimethylamine 以 甲醇 为溶剂， 以40%的产率得到dichloropalladium(II)[[2-(3,5-dimethylpyrazole-1-yl)phenyl]dimethylamine]
  参考文献：
  名称：

  Square planar mononuclear Pd(II) complexes of substituted 2-(pyrazole-1-yl)phenylamines with a helical twist

  摘要：

  X-ray crystal structure shows that 3,5-dimethyl-1-(2-nitrophenyl)-1H-pyrazole (DNP) belongs to the rare class of helically twisted synthetic organic molecules. Hydrogenation of DNP gives 2-(3,5-dimethylpyrazole-1-yl)phenylamine (L) which on methylation yields [2-(3,5-dimethylpyrazole-1-yl)phenyl]dimethylamine (L'). Two Pd(II) complexes, PdLCl2 (1) and PdL'Cl-2 (2), are synthesized and characterized by NMR. X-ray crystallography reveals that 1 and 2 are unprecedented square planar complexes which possess well discernible helical twists. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.04.013
• 作为产物：
  描述：

  聚合甲醛 、 2-(3,5-二甲基-吡唑-1-基)-苯胺 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以66%的产率得到[2-(3,5-dimethylpyrazol-1-yl)phenyl]dimethylamine
  参考文献：
  名称：

  吡唑系留异二位配体及其过渡金属配合物：合成、结构和反应性

  摘要：

  已经合成了各种基于吡唑的 P,N (2a-c) 和 N,N (3a-b) 配体。使用代表性配体，NiII、CoII、CuII 和 CuI 配合物已被制备，并通过晶体学进行结构表征。在 CoII 和 CuII 盐的络合过程中，P,N 配体的磷烷部分被氧化成氧化磷。对于 N，N 供体配体，获得了二聚氯桥连 NiIII 复合物。NiIII络合物4是乙烯低聚反应的活性催化剂。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)

  DOI：

  10.1002/ejic.200400818

文献信息

• Pyrazole‐Tethered Heteroditopic Ligands and Their Transition Metal Complexes: Synthesis, Structure, and Reactivity
  作者：Anuradha Mukherjee、U. Subramanyam、Vedavati G. Puranik、Thekke P. Mohandas、Amitabha Sarkar

  DOI：10.1002/ejic.200400818

  日期：2005.4

  Various pyrazole-based P,N (2a–c) and N,N (3a–b) ligands have been synthesized. Using representative ligands, NiII, CoII, CuII, and CuI complexes have been prepared and structurally characterized by crystallography. During complexation of CoII and CuII salts, the phosphane part of the P,N ligand oxidized to phosphane oxide. For N,N donor ligands, a dimeric chloro-bridged NiII complex was obtained.

  已经合成了各种基于吡唑的 P,N (2a-c) 和 N,N (3a-b) 配体。使用代表性配体，NiII、CoII、CuII 和 CuI 配合物已被制备，并通过晶体学进行结构表征。在 CoII 和 CuII 盐的络合过程中，P,N 配体的磷烷部分被氧化成氧化磷。对于 N，N 供体配体，获得了二聚氯桥连 NiIII 复合物。NiIII络合物4是乙烯低聚反应的活性催化剂。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
• Square planar mononuclear Pd(II) complexes of substituted 2-(pyrazole-1-yl)phenylamines with a helical twist
  作者：Michael G.B. Drew、Anuradha Mukherjee、Senjuti De、Samik Nag、Dipankar Datta

  DOI：10.1016/j.ica.2007.04.013

  日期：2007.7

  X-ray crystal structure shows that 3,5-dimethyl-1-(2-nitrophenyl)-1H-pyrazole (DNP) belongs to the rare class of helically twisted synthetic organic molecules. Hydrogenation of DNP gives 2-(3,5-dimethylpyrazole-1-yl)phenylamine (L) which on methylation yields [2-(3,5-dimethylpyrazole-1-yl)phenyl]dimethylamine (L'). Two Pd(II) complexes, PdLCl2 (1) and PdL'Cl-2 (2), are synthesized and characterized by NMR. X-ray crystallography reveals that 1 and 2 are unprecedented square planar complexes which possess well discernible helical twists. (C) 2007 Elsevier B.V. All rights reserved.